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2,6-Dimethyl-γ-pyrone

2,6-Dimethyl-γ-pyrone structure

CAS No:
1004-36-0
Formula:
C7H8O2
Chemical Name:
2,6-Dimethyl-γ-pyrone
Synonyms:
4H-Pyran-4-one,2,6-dimethyl-;2,6-Dimethyl-4H-pyran-4-one;2,6-Dimethyl-4-pyrone;2,6-Dimethyl-γ-pyrone;2,6-Dimethyl-4-pyranone;NSC 48105;NSC 8735
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2,6-Dimethyl-4H-pyran-4-one is white to beige crystalline powder or crystals

2,6-Dimethyl-γ-pyrone Basic Attributes

Molecular Weight：

124.14

Exact Mass：

124.14

BRN：

107418

EC Number：

213-719-1

UNII：

V2D262MF0L

NSC Number：

48105|8735

DSSTox ID：

DTXSID6074415

HScode：

29329995

Characteristics

PSA：

26.3

XLogP3：

0.1

Appearance：

White to beige Crystalline Powder or Crystals

Density：

0.9953

Melting Point：

132 °C

Boiling Point：

251 °C

Flash Point：

248-250°C

Refractive Index：

1.5300 (estimate)

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

UQ0780000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 46 companies from 3 notifications to the ECHA C&L Inventory.

2,6-Dimethyl-γ-pyrone Use and Manufacturing

Labelled Diisobutylcarbinol (D455450). Diisobutylcarbinol is used as a fragrance ingredient.

Computed Properties

Molecular Weight:124.14
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:124.052429494
Monoisotopic Mass:124.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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